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Reactive molecular dynamics and DFT simulations of FTDO explosive

Authors :
Rene F.B. Gonçalves
Aleksey Kuznetsov
Bruno T. Rocco
Leopoldo Rocco
José A.F.F. Rocco
Source :
Computational and Theoretical Chemistry. 1212:113723
Publication Year :
2022
Publisher :
Elsevier BV, 2022.

Details

ISSN :
2210271X
Volume :
1212
Database :
OpenAIRE
Journal :
Computational and Theoretical Chemistry
Accession number :
edsair.doi...........d24fb8cb85ac9c03e94d95c92e4863ef
Full Text :
https://doi.org/10.1016/j.comptc.2022.113723